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Merck
CN

328200

Sigma-Aldrich

2,4,5-三氟苯腈

99%

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About This Item

线性分子式:
F3C6H2CN
CAS号:
分子量:
157.09
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

方案

99%

表单

liquid

折射率

n20/D 1.4736 (lit.)

密度

1.373 g/mL at 25 °C (lit.)

官能团

fluoro
nitrile

SMILES字符串

Fc1cc(F)c(cc1F)C#N

InChI

1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H

InChI key

DLKNOGQOOZFICZ-UHFFFAOYSA-N

一般描述

Raman and FTIR spectra of 2,4,5- Trifluorobenzonitrile was studied. Highly regioselective substitution reaction of 2,4,5-trifluorobenzonitrile was reported.

应用

2,4,5-Trifluorobenzonitrile was used in preparation of novel linker in solid phase synthesis, 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid.

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

181.4 °F - closed cup

闪点(°C)

83 °C - closed cup

个人防护装备

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

法规信息

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分析证书(COA)

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Regioselective nucleophilic substitutions of fluorobenzene derivatives
Wells KM, et al.
Tetrahedron Letters, 37(36), 6439-6442 (1996)
V Mukherjee et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(4), 1571-1580 (2008-08-12)
Raman and FTIR spectra of 2,4,5- and 3,4,5-tri-fluoro-benzonitriles have been recorded in the regions 50-4000 cm(-1) and 400-4000 cm(-1), respectively. Measurement of depolarization ratios for the Raman lines has also been made. Optimized geometrical parameters, charge distributions and vibrational wavenumbers
Fredrik K Wallner et al.
Organic & biomolecular chemistry, 5(15), 2464-2471 (2007-07-20)
Gel-phase (19)F NMR spectroscopy is a useful monitoring technique for solid-phase organic chemistry due to the high information content it delivers and swift acquisition times, using standard NMR spectrometers. This paper describes the synthesis of the novel linker 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid

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